Chem
J-GLOBAL ID：200907005322164990   Nikkaji number：J355.997A

2,6-Dimethyl-4-(4-cyano-2-pyridyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-methyl 5-[2-[4-[(4-benzhydrylpiperazin)-1-yl]phenyl]ethyl] ester

2,6-ジメチル-4-(4-シアノ-2-ピリジル)-1,4-ジヒドロピリジン-3,5-ジカルボン酸3-メチル5-[2-[4-[(4-ベンズヒドリルピペラジン)-1-イル]フェニル]エチル]
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C41H41N5O4
Molecular formula furigana： C41-H41-N5-O4
Molecular weight： 667.810
InChI： InChI=1S/C41H41N5O4/c1-28-36(40(47)49-3)38(35-26-31(27-42)18-20-43-35)37(29(2)44-28)41(48)50-25-19-30-14-16-34(17-15-30)45-21-23-46(24-22-45)39(32-10-6-4-7-11-32)33-12-8-5-9-13-33/h4-18,20,26,38-39,44H,19,21-25H2,1-3H3
InChI key： XJXSFOGLRDLNTK-UHFFFAOYSA-N
SMILES： COC(=O)C1=C(C)NC(=C(C1c1cc(ccn1)C#N)C(=O)OCCc1ccc(cc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1)C
Systematic name  (3)：
  • 2,6-ジメチル-4-(4-シアノ-2-ピリジル)-1,4-ジヒドロピリジン-3,5-ジカルボン酸3-メチル5-[2-[4-[(4-ベンズヒドリルピペラジン)-1-イル]フェニル]エチル]
  • 3'-(2-{4-[4-(ジフェニルメチル)ピペラジン-1-イル]フェニル}エチル) 5'-メチル 4-シアノ-2',6'-ジメチル-1',4'-ジヒドロ-[2,4'-ビピリジン]-3',5'-ジカルボキシラート
  • 3'-(2-{4-[4-(diphenylmethyl)piperazin-1-yl]phenyl}ethyl) 5'-methyl 4-cyano-2',6'-dimethyl-1',4'-dihydro-[2,4'-bipyridine]-3',5'-dicarboxylate
Other name (1)：
  • 2,6-Dimethyl-4-(4-cyano-2-pyridyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-methyl 5-[2-[4-[(4-benzhydrylpiperazin)-1-yl]phenyl]ethyl] ester
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